om070241g_si_003.cif (24.36 kB)

Synthesis, Characterization, and Structure of [GaCl3(NHC)] Complexes

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posted on 07.05.2020 by Nicolas Marion, Eduardo C. Escudero-Adán, Jordi Benet-Buchholz, Edwin D. Stevens, Louis Fensterbank, Max Malacria, Steven P. Nolan
The reaction of GaCl3 with 1 equiv of NHC ligand (NHC = N-heterocyclic carbene) at room temperature in pentane yielding the corresponding 1:1 adduct [GaCl3(NHC)] is reported. Using IPr (N,N‘-bis(2,6-diisopropylphenyl)imidazol-2-ylidene), IMes (N,N‘-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene), and IPrMe (1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene), three NHC-containing GaIII adducts have been synthesized in good yields and fully characterized by 1H and 13C NMR, HRMS, elemental analysis, and X-ray diffraction studies for the first time. The solid-state structure of [GaCl3(IMes)] presented, as a special feature, two different positions of the main molecule with an occupation ratio of 50%. These positions of the molecule are shifted with respect to each other along the c-axis by 0.96 Å.